SCHEMBL4928639

SCHEMBL4928639

Cc1cc(-c2cccc(OCCN3CCCC3)c2)ccc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
BACE1 P56817 1/20 0.44
RPS6KB1 P23443 10/20 0.43
AKT1 P31749 9/20 0.43
MAP4K4 O95819 2/20 0.42
GAK O14976 1/20 0.42
DYRK3 O43781 1/20 0.42
JAK2 O60674 1/20 0.42
PRKD3 O94806 1/20 0.42
NQO2 P16083 1/20 0.42
CSNK2A2 P19784 1/20 0.42
FECH P22830 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
CLK1 P49759 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1793930 0.94 LTA4H (0.45) LTA4HBACE1RPS6KB1AKT1MAP4K4
SCHEMBL4928646 0.86 RPS6KB1 (0.44) RPS6KB1AKT1TNK2MEN1LMNA
SCHEMBL1793737 0.84 DRD2 (0.45) LTA4HBACE1RPS6KB1AKT1MAP4K4
SCHEMBL1791682 0.80 RPS6KB1 (0.44) RPS6KB1AKT1TNK2SMN1; SMN2
SCHEMBL1790594 0.79 RPS6KB1 (0.41) RPS6KB1AKT1TNK2MEN1KMT2A
SCHEMBL1790616 0.77 RPS6KB1 (0.45) RPS6KB1AKT1MEN1LMNAMAPT
SCHEMBL1793570 0.76 RPS6KB1 (0.69) RPS6KB1AKT1LMNAMAPTHTT
SCHEMBL1787788 0.76 RPS6KB1 (0.49) RPS6KB1AKT1LMNAMAPTHTT
SCHEMBL1791664 0.75 RPS6KB1 (0.44) RPS6KB1AKT1LMNAHTTSMN1; SMN2
SCHEMBL1789775 0.75 RPS6KB1 (0.68) RPS6KB1AKT1LMNAMAPTHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 LTA4H 3953/4885BACE1 1380/4885RPS6KB1 13/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.